Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R2 | Q9NPC1 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | HTR7 | P34969 | 2/20 | 0.31 |
| ▸ | HTR6 | P50406 | 2/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 2/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6021284 | 0.89 | LTB4R2 (0.37) | LTB4R2ALDH1A1PDCD1CD274LMNA | |
| SCHEMBL6021982 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TRPV1LMNA | |
| SCHEMBL6022017 | 0.83 | HTR1A (0.36) | ALDH1A1TRPV1HTR5AHTR1ADRD2 | |
| SCHEMBL6022022 | 0.82 | CHRM2 (0.39) | ALDH1A1CCR6PAX8HTR1ADRD2 | |
| SCHEMBL5280978 | 0.82 | CD274 (0.34) | PDCD1CD274 | |
| SCHEMBL6027475 | 0.80 | TRPV1 (0.37) | TRPV1HTR1ADRD2HTR7HTR6 | |
| SCHEMBL6021934 | 0.80 | MEN1 (0.40) | ALDH1A1TRPV1 | |
| SCHEMBL6022221 | 0.79 | BCHE (0.39) | TRPV1HTR5AHTR1ADRD2HTR7 | |
| SCHEMBL6028157 | 0.79 | ACHE (0.39) | LTB4R2ALDH1A1CCR6PAX8HTR1A | |
| SCHEMBL6027362 | 0.77 | TRPV1 (0.39) | ALDH1A1TRPV1PDCD1CD274SLC6A5 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1723110-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2006-11-22 | — | — | EP | claimed |
| WO-2005087735-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2005-09-22 | — | — | WO | claimed |
| EP-1723110-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005087735-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2005-09-22 | — | — | WO | disclosed |